UCSF

ZINC20437603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 36 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 10.67 -78.27 2 7 0 94 486.568 10
Lo Low (pH 4.5-6) 3.85 9.85 -52 3 7 1 92 487.576 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )